1-[(4-bromanylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Formula: C27H22BrN5O2 MolecularWeight: 528.39988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H22BrN5O2/c28-22-11-13-24(14-12-22)35-19-32-16-15-25(30-32)27(34)29-17-21-18-33(23-9-5-2-6-10-23)31-26(21)20-7-3-1-4-8-20/h1-16,18H,17,19H2,(H,29,34)